| SpectraBase Spectrum ID |
E5EI0blJzsj |
| Name |
Succinic acid, di(3-bromophenethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.972835120 u |
| Formula |
C20H20Br2O4 |
| InChI |
InChI=1S/C20H20Br2O4/c21-17-5-1-3-15(13-17)9-11-25-19(23)7-8-20(24)26-12-10-16-4-2-6-18(22)14-16/h1-6,13-14H,7-12H2 |
| InChIKey |
HVOKIDPRZHDPMV-UHFFFAOYSA-N |
| Molecular Weight |
484.184 g/mol |
| SMILES |
C(CCC(OCCC1=CC=CC(=C1)Br)=O)(OCCC1=CC=CC(=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853948 |
